CID 3008128

87970-07-8

Structural Information

Molecular Formula
C15H21N5O5
SMILES
CCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C15H21N5O5/c1-2-3-4-9(22)25-12-11(23)8(5-21)24-15(12)20-7-19-10-13(16)17-6-18-14(10)20/h6-8,11-12,15,21,23H,2-5H2,1H3,(H2,16,17,18)/t8-,11-,12+,15-/m1/s1
InChIKey
GCTYFBHNQFEDDZ-UPSWMWPXSA-N
Compound name
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.15427 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16155 180.5
[M+Na]+ 374.14349 188.5
[M-H]- 350.14699 181.9
[M+NH4]+ 369.18809 189.8
[M+K]+ 390.11743 185.9
[M+H-H2O]+ 334.15153 171.9
[M+HCOO]- 396.15247 195.6
[M+CH3COO]- 410.16812 210.4
[M+Na-2H]- 372.12894 179.3
[M]+ 351.15372 183.9
[M]- 351.15482 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.